# generated using pymatgen data_Tm7Cl15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60750700 _cell_length_b 6.80891200 _cell_length_c 45.68596700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm7Cl15 _chemical_formula_sum 'Tm28 Cl60' _cell_volume 2055.40862646 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tm Tm0 1 0.13711300 0.45244900 0.60760600 1.0 Tm Tm1 1 0.36288700 0.95244900 0.10760600 1.0 Tm Tm2 1 0.35599400 0.03481000 0.95644500 1.0 Tm Tm3 1 0.74317700 0.00707700 0.75000000 1.0 Tm Tm4 1 0.86667600 0.47632400 0.67186600 1.0 Tm Tm5 1 0.86667600 0.47632400 0.82813400 1.0 Tm Tm6 1 0.36288700 0.95244900 0.39239400 1.0 Tm Tm7 1 0.35599400 0.03481000 0.54355500 1.0 Tm Tm8 1 0.75682300 0.50707700 0.25000000 1.0 Tm Tm9 1 0.86288700 0.54755100 0.10760600 1.0 Tm Tm10 1 0.14400600 0.53481000 0.45644500 1.0 Tm Tm11 1 0.14400600 0.53481000 0.04355500 1.0 Tm Tm12 1 0.36667600 0.02367600 0.82813400 1.0 Tm Tm13 1 0.13711300 0.45244900 0.89239400 1.0 Tm Tm14 1 0.85599400 0.46519000 0.95644500 1.0 Tm Tm15 1 0.64400600 0.96519000 0.45644500 1.0 Tm Tm16 1 0.63711300 0.04755100 0.89239400 1.0 Tm Tm17 1 0.63711300 0.04755100 0.60760600 1.0 Tm Tm18 1 0.13332400 0.52367600 0.17186600 1.0 Tm Tm19 1 0.64400600 0.96519000 0.04355500 1.0 Tm Tm20 1 0.85599400 0.46519000 0.54355500 1.0 Tm Tm21 1 0.86288700 0.54755100 0.39239400 1.0 Tm Tm22 1 0.36667600 0.02367600 0.67186600 1.0 Tm Tm23 1 0.63332400 0.97632400 0.32813400 1.0 Tm Tm24 1 0.13332400 0.52367600 0.32813400 1.0 Tm Tm25 1 0.25682300 0.99292300 0.25000000 1.0 Tm Tm26 1 0.24317700 0.49292300 0.75000000 1.0 Tm Tm27 1 0.63332400 0.97632400 0.17186600 1.0 Cl Cl28 1 0.99571100 0.14974500 0.92597200 1.0 Cl Cl29 1 0.65255100 0.18760100 0.50876800 1.0 Cl Cl30 1 0.12458800 0.28778500 0.37251400 1.0 Cl Cl31 1 0.49571100 0.35025500 0.57402800 1.0 Cl Cl32 1 0.80705700 0.33935600 0.30645100 1.0 Cl Cl33 1 0.87601000 0.63458500 0.75000000 1.0 Cl Cl34 1 0.45332600 0.71290200 0.28458400 1.0 Cl Cl35 1 0.12458800 0.28778500 0.12748600 1.0 Cl Cl36 1 0.34744900 0.81239900 0.49123200 1.0 Cl Cl37 1 0.15255100 0.31239900 0.50876800 1.0 Cl Cl38 1 0.87541200 0.71221500 0.87251400 1.0 Cl Cl39 1 0.15702300 0.70099400 0.94012900 1.0 Cl Cl40 1 0.00428900 0.85025500 0.42597200 1.0 Cl Cl41 1 0.00428900 0.85025500 0.07402800 1.0 Cl Cl42 1 0.34297700 0.20099400 0.44012900 1.0 Cl Cl43 1 0.15702300 0.70099400 0.55987100 1.0 Cl Cl44 1 0.84744900 0.68760100 0.00876800 1.0 Cl Cl45 1 0.87541200 0.71221500 0.62748600 1.0 Cl Cl46 1 0.15255100 0.31239900 0.99123200 1.0 Cl Cl47 1 0.01711200 0.15402600 0.64701600 1.0 Cl Cl48 1 0.69294300 0.83935600 0.69354900 1.0 Cl Cl49 1 0.95332600 0.78709800 0.28458400 1.0 Cl Cl50 1 0.48288800 0.65402600 0.35298400 1.0 Cl Cl51 1 0.62458800 0.21221500 0.37251400 1.0 Cl Cl52 1 0.49571100 0.35025500 0.92597200 1.0 Cl Cl53 1 0.65255100 0.18760100 0.99123200 1.0 Cl Cl54 1 0.99571100 0.14974500 0.57402800 1.0 Cl Cl55 1 0.95332600 0.78709800 0.21541600 1.0 Cl Cl56 1 0.50428900 0.64974500 0.42597200 1.0 Cl Cl57 1 0.50428900 0.64974500 0.07402800 1.0 Cl Cl58 1 0.12399000 0.36541500 0.25000000 1.0 Cl Cl59 1 0.84297700 0.29900600 0.05987100 1.0 Cl Cl60 1 0.34297700 0.20099400 0.05987100 1.0 Cl Cl61 1 0.48288800 0.65402600 0.14701600 1.0 Cl Cl62 1 0.37601000 0.86541500 0.75000000 1.0 Cl Cl63 1 0.19294300 0.66064400 0.69354900 1.0 Cl Cl64 1 0.80705700 0.33935600 0.19354900 1.0 Cl Cl65 1 0.01711200 0.15402600 0.85298400 1.0 Cl Cl66 1 0.51711200 0.34597400 0.64701600 1.0 Cl Cl67 1 0.04667400 0.21290200 0.71541600 1.0 Cl Cl68 1 0.84744900 0.68760100 0.49123200 1.0 Cl Cl69 1 0.84297700 0.29900600 0.44012900 1.0 Cl Cl70 1 0.54667400 0.28709800 0.78458400 1.0 Cl Cl71 1 0.65702300 0.79900600 0.94012900 1.0 Cl Cl72 1 0.37541200 0.78778500 0.87251400 1.0 Cl Cl73 1 0.37541200 0.78778500 0.62748600 1.0 Cl Cl74 1 0.65702300 0.79900600 0.55987100 1.0 Cl Cl75 1 0.54667400 0.28709800 0.71541600 1.0 Cl Cl76 1 0.62458800 0.21221500 0.12748600 1.0 Cl Cl77 1 0.04667400 0.21290200 0.78458400 1.0 Cl Cl78 1 0.51711200 0.34597400 0.85298400 1.0 Cl Cl79 1 0.69294300 0.83935600 0.80645100 1.0 Cl Cl80 1 0.98288800 0.84597400 0.14701600 1.0 Cl Cl81 1 0.62399000 0.13458500 0.25000000 1.0 Cl Cl82 1 0.19294300 0.66064400 0.80645100 1.0 Cl Cl83 1 0.98288800 0.84597400 0.35298400 1.0 Cl Cl84 1 0.45332600 0.71290200 0.21541600 1.0 Cl Cl85 1 0.30705700 0.16064400 0.30645100 1.0 Cl Cl86 1 0.30705700 0.16064400 0.19354900 1.0 Cl Cl87 1 0.34744900 0.81239900 0.00876800 1.0